4-옥소-1,4-디히드로-3-피리딘카르복실산

4-옥소-1,4-디히드로-3-피리딘카르복실산 · Odhpca · 4-oxo-1,4-dihydro-3-pyridinecarboxylic acid · 1,4-dihydro-4-oxopyridine-3-carboxylic acid · 4-Oxo-1,4-dihydropyridine-3-carboxylic acid · 3-Pyridinecarboxylic acid, 1,4-dihydro-4-oxo-

https://huagongshe.com/ko/chemical/69113

식별자 및 물리적 특성

CAS No.	609-70-1
분자식	C6H5NO3
평균 분자량	139.11 g/mol
단동위원소 질량	139.02694302 g/mol
SMILES	O=C(O)c1c[nH]ccc1=O
InChIKey	CHCUBGPSZDGABM-UHFFFAOYSA-N
PubChem CID	69113
ChEMBL	CHEMBL1610346
EC No.	210-197-7
DTXSID	DTXSID80976370
현지명	4-옥소-1,4-디히드로-3-피리딘카르복실산

화학 및 물리적 성질

XLogP	0.4
극성 표면적	66.4
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	239

안전 및 규제

GHS 분류	WarningH302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (84.4%)

GHS 분류

WarningH302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (84.4%)